Okay then,
Here's the plan for all the software developers out there:
1) backport cctbx to fortran (preferably F77) and include all subroutines inline to avoid the use of any external libraries whatsoever
2) ditch all gui support or, from scratch, develop a gui front-end that uses none of the following: Qt, Ruby, Perl, Python, TK/TCl, etc. This gui must compile and run on all mainstream hardware on all major operating systems. The custom gui might also need a custom driver for maximizing the capabilities of modern GPU's for 3D work, but shouldn't make use of any existing shading/tiling/rendering methods (like openGL).
3) scratch all binary formats (mtz,ccp4map,etc.) due to interoperability issues/dependencies. Everything in flat text (if you like, all variables can have four letters and can be followed by a flag/switch consisting of an integer or two, perhaps negative, to control software behavior).
4) abandon rapid software development afforded by modular, object oriented programming.
Sounds good to me.
Seriously however, I do like how well-coded monolithic executables simply work once compiled without fuss. I also like the speed and power afforded by using a well thought out toolkit of practical modules, a la PHENIX. I guess I can't have it all. Personally, if you really need windows, I second the idea of a VM running a linux environment. It's vastly simpler to install mature linux binaries within a VM then fight to get all of modern crystallographic software to run under windows. Even better, the other way around -- run linux native and windows in a VM.
For the record:
Shelx is awesome
Fortran is a perfectly good programming language
I keep a slide rule in my desk.
--Paul
Paul Smith, Ph.D. -- [log in to unmask]
- Memorial Sloan-Kettering Cancer Center
- New York Institute of Technology
- www.paladinscientific.com
--- On Mon, 8/29/11, George M. Sheldrick <[log in to unmask]> wrote:
> From: George M. Sheldrick <[log in to unmask]>
> Subject: Re: [ccp4bb] Windows 7 and Xtal Software
> To: [log in to unmask]
> Date: Monday, August 29, 2011, 3:12 PM
> It is simply a result of the 'zero
> dependency' philosophy. In other words, the
> exact opposite of current trends in crystallographic
> computing (e.g. Phenix/CCTBX).
>
> George
>
> On Mon, Aug 29, 2011 at 12:39:16PM -0500, Jacob Keller
> wrote:
> > You know, why does your software always seem so clean?
> Was it
> > something about the punch cards?
> >
> > Jacob
> >
> > On Mon, Aug 29, 2011 at 12:29 PM, George M. Sheldrick
> > <[log in to unmask]>
> wrote:
> > > The current SHELX binaries (including the
> beta-test multi-CPU SHELXD) all
> > > appear to run fine under Windows 7. There is no
> need to use a virtual box etc.
> > > George
> > >
> > > On Sun, Aug 28, 2011 at 11:53:05PM -0700, Nat
> Echols wrote:
> > >> On Sun, Aug 28, 2011 at 7:23 PM, Jacob Keller
> <[log in to unmask]>
> > >> wrote:
> > >>
> > >> are there any additional problems or
> known issues running ccp4 or
> > >> other xtal software on windows 7
> (beyond those of Vista, etc.?)
> > >>
> > >>
> > >> Phenix, ARP/wARP, and HKL2000 do not run on
> Windows. I'm pretty sure none of
> > >> Global Phasing's software does either (aside
> from web interfaces).
> > >>
> > >> -Nat
> > >
> > > --
> > > Prof. George M. Sheldrick FRS
> > > Dept. Structural Chemistry,
> > > University of Goettingen,
> > > Tammannstr. 4,
> > > D37077 Goettingen, Germany
> > > Tel. +49-551-39-3021 or -3068
> > > Fax. +49-551-39-22582
> > >
> >
> >
> >
> > --
> > *******************************************
> > Jacob Pearson Keller
> > Northwestern University
> > Medical Scientist Training Program
> > cel: 773.608.9185
> > email: [log in to unmask]
> > *******************************************
> >
>
> --
> Prof. George M. Sheldrick FRS
> Dept. Structural Chemistry,
> University of Goettingen,
> Tammannstr. 4,
> D37077 Goettingen, Germany
> Tel. +49-551-39-3021 or -3068
> Fax. +49-551-39-22582
>
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